5MBZ
Crystal Structure of Ser202Phe mutant of Human Prolidase with Mn ions and GlyPro ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-11-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 103.785, 106.945, 216.316 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.790 - 1.500 |
R-factor | 0.151 |
Rwork | 0.150 |
R-free | 0.17500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m4j |
RMSD bond length | 0.009 |
RMSD bond angle | 1.240 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.934 | 1.590 |
High resolution limit [Å] | 1.499 | 1.500 |
Rmerge | 0.082 | 1.100 |
Number of reflections | 191294 | |
<I/σ(I)> | 14.73 | 1.87 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 7.41 | 7.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 10mM NaBorate, 690-760mM NaCitrate |